4-N-hexyl-2-N,5-dimethylpyrimidine-2,4-diamine

C12H22N4 — CID 80835831

IUPAC4-N-hexyl-2-N,5-dimethylpyrimidine-2,4-diamine
SMILESCCCCCCNc1nc(NC)ncc1C
InChIInChI=1S/C12H22N4/c1-4-5-6-7-8-14-11-10(2)9-15-12(13-3)16-11/h9H,4-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyNBZDLDFHNQJGPE-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.82
Rot. Bonds7

About 4-N-hexyl-2-N,5-dimethylpyrimidine-2,4-diamine

4-N-hexyl-2-N,5-dimethylpyrimidine-2,4-diamine (PubChem CID 80835831) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-N-hexyl-2-N,5-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-hexyl-2-N,5-dimethylpyrimidine-2,4-diamine
PubChem CID80835831
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name4-N-hexyl-2-N,5-dimethylpyrimidine-2,4-diamine
SMILESCCCCCCNc1nc(NC)ncc1C
InChIInChI=1S/C12H22N4/c1-4-5-6-7-8-14-11-10(2)9-15-12(13-3)16-11/h9H,4-8H2,1-3H3,(H2,13,14,15,16)
InChIKeyNBZDLDFHNQJGPE-UHFFFAOYSA-N
XLogP2.82
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-N-decyl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80854389
5-chloro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
CID 113336805
5-fluoro-2-N-methyl-4-N-octylpyrimidine-2,4-diamine
CID 113336792
5-bromo-4-N-decyl-2-N-methylpyrimidine-2,4-diamine
CID 80854822
4-N-heptan-2-yl-2-N,5-dimethylpyrimidine-2,4-diamine
CID 80803176
2-hydrazinyl-5-methyl-N-(7-methyloctyl)pyrimidin-4-amine
CID 107819142
3-[2-[[5-methyl-2-(methylamino)pyrimidin-4-yl]amino]ethylsulfanyl]propan-1-ol
CID 106311818
5-methyl-N-octylpyrimidin-2-amine
CID 115568974
5-bromo-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565375
5-chloro-4-N-octyl-2-N-propylpyrimidine-2,4-diamine
CID 115565369
2-N,5-dimethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 114187027
2-N,5-dimethyl-4-N-(2-phenoxyethyl)pyrimidine-2,4-diamine
CID 80814813

Frequently Asked Questions

What is the IUPAC name of 4-N-hexyl-2-N,5-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-hexyl-2-N,5-dimethylpyrimidine-2,4-diamine (CID 80835831) is 4-N-hexyl-2-N,5-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-hexyl-2-N,5-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-hexyl-2-N,5-dimethylpyrimidine-2,4-diamine is CCCCCCNc1nc(NC)ncc1C.
What is the InChIKey of 4-N-hexyl-2-N,5-dimethylpyrimidine-2,4-diamine?
The InChIKey is NBZDLDFHNQJGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-4-5-6-7-8-14-11-10(2)9-15-12(13-3)16-11/h9H,4-8H2,1-3H3,(H2,13,14,15,16).
What are the key properties of 4-N-hexyl-2-N,5-dimethylpyrimidine-2,4-diamine?
4-N-hexyl-2-N,5-dimethylpyrimidine-2,4-diamine has a molecular weight of 222.34 g/mol, XLogP of 2.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-hexyl-2-N,5-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 80835831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).